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BioLiP

PDB CCD ID: PYA
Number of entries in BioLiP: 0
Chemical formula: C15 H13 N3 O2
InChI: InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
InChIKey: LODBCIBKOKOGNL-LBPRGKRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
CACTVS 3.341N[CH](Cc1ccc2ccc3cccnc3c2n1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc2ccc3cccnc3c2n1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N
Name:3-(1,10-PHENANTHROL-2-YL)-L-ALANINE
DrugBank: DB01659
ZINC: ZINC000006548293
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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